aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09751 | 4.39 | 318.84 | C20H23O2Cl | CCc1ccc(Cc2ccc(COCC(C)O)cc2Cl)cc1 |
|
AD09752 | 4.52 | 304.82 | C19H21O2Cl | CCOc1ccc(Cc2ccc(CCOC)cc2Cl)cc1 |
|
AD09753 | 4.64 | 298.81 | C20H19OCl | C#CCOCc1ccc(Cc2ccc(CC)cc2)c(Cl)c1 |
|
AD09754 | 12.9 | 732.18 | C44H87O4NF2 | CCCCCCCCCCCCCCCCCCCCCCCCC(F)(F)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC |
|
AD09755 | 3.86 | 550.52 | C28H26O10N2 | COc1cc2cc(NC(=O)CC=CCC(=O)Nc3cc4cc(OC)c(O)c(C)c4oc3=O)c(=O)oc2c(C)c1O |
|
AD09756 | 2.23 | 319.27 | C15H13O7N | O=C(CCc1ccc(O)c([N+](=O)[O-])c1)c1c(O)cc(O)cc1O |
|
AD09757 | 1.63 | 290.31 | C15H12N7 | Nc1ncnc2c1N=C(NCc1ccc3ccccc3n1)[N]2 |
|
AD09758 | 3.28 | 367.2 | C12H8N4SI | Ic1ccccc1SCc1ncnc2c1N=C[N]2 |
|
AD09759 | 1.2 | 213.28 | C13H15N3 | N#Cc1ccccc1N1CC2C(CN)C2C1 |
|
AD09760 | 1.85 | 1194.18 | C60H59O18N9 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(-c4cccc(C(N)=O)c4)c3)Oc3cc2cc(c3O)Oc2ccc(cc2)C1O |